2-azaniumyl-5-[[3-ethanoylsulfanyl-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 2-azaniumyl-5-[[3-ethanoylsulfanyl-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[1-(acetylsulfanylmethyl)-2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-2-azaniumyl-5-oxo-pentanoate CAS Name: 5-[[3-(acetylthio)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-ammonio-5-oxopentanoate IUPAC Name: 5-[[3-acetylsulfanyl-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate Traditional Name: 5-[[1-[(acetylthio)methyl]-2-keto-2-[(2-keto-2-oxido-ethyl)amino]ethyl]amino]-2-ammonio-5-keto-valerate Formula: C12H18N3O7S- MolecularWeight: 348.35222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/p-1